3-fluoro-3-methylpyrrolidine-1-carbaldehyde

C6H10FNO — CID 143837055

IUPAC3-fluoro-3-methylpyrrolidine-1-carbaldehyde
SMILESCC1(F)CCN(C=O)C1
InChIInChI=1S/C6H10FNO/c1-6(7)2-3-8(4-6)5-9/h5H,2-4H2,1H3
InChIKeyCLBJKCGTYSXBBY-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.58
Rot. Bonds1

About 3-fluoro-3-methylpyrrolidine-1-carbaldehyde

3-fluoro-3-methylpyrrolidine-1-carbaldehyde (PubChem CID 143837055) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 3-fluoro-3-methylpyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name3-fluoro-3-methylpyrrolidine-1-carbaldehyde
PubChem CID143837055
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name3-fluoro-3-methylpyrrolidine-1-carbaldehyde
SMILESCC1(F)CCN(C=O)C1
InChIInChI=1S/C6H10FNO/c1-6(7)2-3-8(4-6)5-9/h5H,2-4H2,1H3
InChIKeyCLBJKCGTYSXBBY-UHFFFAOYSA-N
XLogP0.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methylpyrrolidine-1-carbaldehyde?
The IUPAC name of 3-fluoro-3-methylpyrrolidine-1-carbaldehyde (CID 143837055) is 3-fluoro-3-methylpyrrolidine-1-carbaldehyde.
What is the SMILES notation for 3-fluoro-3-methylpyrrolidine-1-carbaldehyde?
The canonical SMILES for 3-fluoro-3-methylpyrrolidine-1-carbaldehyde is CC1(F)CCN(C=O)C1.
What is the InChIKey of 3-fluoro-3-methylpyrrolidine-1-carbaldehyde?
The InChIKey is CLBJKCGTYSXBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c1-6(7)2-3-8(4-6)5-9/h5H,2-4H2,1H3.
What are the key properties of 3-fluoro-3-methylpyrrolidine-1-carbaldehyde?
3-fluoro-3-methylpyrrolidine-1-carbaldehyde has a molecular weight of 131.15 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methylpyrrolidine-1-carbaldehyde is sourced from PubChem (CID 143837055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).